CAS RN: 26213-95-6
2-Methyl-5-hydroxy-7-methoxy-8-(3-methyl-2-butenyl)chromone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250923 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS26213-95-6
- Purity/Analytical Methods: >99.0%
26213-95-6 / 5-hydroxy-7-methoxy-2-methyl-8-(3-methylbut-2-enyl)chromen-4-one
Basic Information
CAS
26213-95-6
Multi CAS
No
Molecular Formula
C16H18O4
Molecular Weight
274.310000
Exact Mass
274.120509
SMILES
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)CC=C(C)C
InChI
InChI=1S/C16H18O4/c1-9(2)5-6-11-14(19-4)8-13(18)15-12(17)7-10(3)20-16(11)15/h5,7-8,18H,6H2,1-4H3
InChIKey
KVNRDSLYCOJCRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.57
TPSA
59.67
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
4
Consensus LogP
3.42
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
ETHYL-N-BENZYLCARBAMATE
- CAS RN: 2621-78-5
- Product Code: starshine_CAS2621-78-5
- Purity/Analytical method: >99.0%
-
N-METHYL-N-PHENYLURETHANE
- CAS RN: 2621-79-6
- Product Code: starshine_CAS2621-79-6
- Purity/Analytical method: >99.0%
-
